MMsINC Database Search


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MMsINC code: MMs01581227

Type: Neutral
Formula: C₁₈H₁₇F₃N₂O₃

SMILES:

Fc1ccc(cc1)CCNC(=O)CNC(=O)c1ccccc1OC(F)F

InChI:

InChI=1/C18H17F3N2O3/c19-13-7-5-12(6-8-13)9-10-22-16(24)11-23-17(25)14-3-1-2-4-15(14)26-18(20)21/h1-8,18H,9-11H2,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0679 kcal/mol

Physical Properties
Molecular Weight: 366.339 g/mol	logS: -3.96218	SlogP: 2.93567	Reactive groups: 0

Topological Properties
Globularity: 0.0255129	Sterimol/B1: 2.54906	Sterimol/B2: 3.61883	Sterimol/B3: 3.61938
Sterimol/B4: 7.0488	Sterimol/L: 19.8304

Surface and Volume Properties
Accessible surface: 625.542	Positive charged surface: 343.19	Negative charged surface: 282.352	Volume: 319
Hydrophobic surface: 454.504	Hydrophilic surface: 171.038

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.